methanesulfonate; 4-methylbenzenesulfonate

Systemtic Name: methanesulfonate; 4-methylbenzenesulfonate Openeye Name: methanesulfonate; 4-methylbenzenesulfonate CAS Name: methanesulfonate; 4-methylbenzenesulfonate IUPAC Name: methanesulfonate; 4-methylbenzenesulfonate Traditional Name: dimesylate ditosylate Formula: C16H20O12S4-4 MolecularWeight: 532.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/2C7H8O3S.2CH4O3S/c2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h2*2-5H,1H3,(H,8,9,10);2*1H3,(H,2,3,4)/p-4